methyl (2S)-2-[(5-chloranyl-8-methoxy-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(5-chloranyl-8-methoxy-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(5-chloro-8-methoxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-chloro-1-keto-8-methoxy-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)OC)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)OC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H22ClNO6/c1-12-9-14-16(23)11-15(19(28-2)18(14)22(27)30-12)20(25)24-17(21(26)29-3)10-13-7-5-4-6-8-13/h4-8,11-12,17H,9-10H2,1-3H3,(H,24,25)/t12?,17-/m0/s1